![11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/3537/353772-52-8.webp)
11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 353772-52-8) is a chemical compound with molecular formula C28H26ClN3O5 and molecular weight 519.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-14,14-dimethyl-9-propanoyl-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one, 11-(5-{2-chloro-4-nitrophenyl}-2-furyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-[5-(2-chloro-4-nitrophenyl)-2-furyl]-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H26ClN3O5 |
|---|---|
| Molecular Weight | 519.16 g/mol |
| LogP | 7.0612 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.1561 |
| Heavy Atoms | 37 |
| Complexity | 1471.9507 |
Chemical Identifiers
| CAS Number | 353772-52-8 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl |
Product Overview
11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 353772-52-8), with molecular formula C28H26ClN3O5 and molecular weight 519.16 g/mol. IUPAC: 6-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.0612 indicates that 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 353772-52-8.
What is the molecular formula of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C28H26ClN3O5.
What is the molecular weight of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 519.16 g/mol.
Where can I buy 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.